2,6-dichloro-4-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline

C15H13Cl2F2N — CID 114830625

IUPAC2,6-dichloro-4-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
SMILESCC(Cc1ccccc1F)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C15H13Cl2F2N/c1-9(6-10-4-2-3-5-14(10)19)20-15-12(16)7-11(18)8-13(15)17/h2-5,7-9,20H,6H2,1H3
InChIKeyPVXBLQGFSSPEFP-UHFFFAOYSA-N
MW316.18 g/mol
LogP5.31
Rot. Bonds4

About 2,6-dichloro-4-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline

2,6-dichloro-4-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline (PubChem CID 114830625) has the molecular formula C15H13Cl2F2N and a molecular weight of 316.18 g/mol. Its IUPAC name is 2,6-dichloro-4-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
PubChem CID114830625
Molecular FormulaC15H13Cl2F2N
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC Name2,6-dichloro-4-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
SMILESCC(Cc1ccccc1F)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C15H13Cl2F2N/c1-9(6-10-4-2-3-5-14(10)19)20-15-12(16)7-11(18)8-13(15)17/h2-5,7-9,20H,6H2,1H3
InChIKeyPVXBLQGFSSPEFP-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.18
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,6-trichloro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828437
2,4,6-tribromo-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828434
3-chloro-N-[1-(2-fluorophenyl)propan-2-yl]-4-methylaniline
CID 114827877
2-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-6-methylaniline
CID 114830872
2,5-difluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828016
2-chloro-4,6-difluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114830635
4-bromo-2,3-dichloro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 107787388
N-[1-(2-fluorophenyl)propan-2-yl]-3-iodoaniline
CID 114828426
2-tert-butyl-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828604
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 105394794
N-[(3-chlorophenyl)methyl]-1-(2-fluorophenyl)propan-2-amine
CID 115592336
[4-[1-(2-fluorophenyl)propan-2-ylamino]phenyl]methanol
CID 114830703

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline?
The IUPAC name of 2,6-dichloro-4-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline (CID 114830625) is 2,6-dichloro-4-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline.
What is the SMILES notation for 2,6-dichloro-4-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline?
The canonical SMILES for 2,6-dichloro-4-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline is CC(Cc1ccccc1F)Nc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline?
The InChIKey is PVXBLQGFSSPEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F2N/c1-9(6-10-4-2-3-5-14(10)19)20-15-12(16)7-11(18)8-13(15)17/h2-5,7-9,20H,6H2,1H3.
What are the key properties of 2,6-dichloro-4-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline?
2,6-dichloro-4-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline has a molecular weight of 316.18 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline is sourced from PubChem (CID 114830625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).